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HFE-338mcf2
| Flow Object ID | fo-5cdfe1841b204ec7 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 156053-88-2 | ||||
| Changes Applied | 11 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
PWUUTIKGSUITSX-UHFFFAOYSA-N, ZOMISZRVOJQGOT-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2, InChI=1S/C8H2F16O/c9-3(10,7(19,20)21)1(5(13,14)15)25-2(6(16,17)18)4(11,12)8(22,23)24/h1-2H
|
| IUPAC name |
1,1,1,2,2,4,4,4-octafluoro-3-(1,1,1,3,3,4,4,4-octafluorobutan-2-yloxy)butane, 1,1,1,2,2,4,4,4-octafluoro-3-[2,2,3,3,3-pentafluoro-1-(trifluoromethyl)propoxy]butane, 1,1,1,2,2,4,4,4-octakis(fluoranyl)-3-[1,1,1,3,3,4,4,4-octakis(fluoranyl)butan-2-yloxy]butane, 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane, 1,1,1,2,2-pentakis(fluoranyl)-2-[2,2,2-tris(fluoranyl)ethoxy]ethane
|
| Molecular formula |
C4H2F8O, C8H2F16O
|
| SMILES |
C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F, C(C(F)(F)F)OC(C(F)(F)F)(F)F
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J744.272F
- https://commonchemistry.cas.org/detail?cas_rn=156053-88-2
- https://comptox.epa.gov/dashboard/DTXSID90379752
- https://pubchem.ncbi.nlm.nih.gov/compound/2775955
- https://pubchem.ncbi.nlm.nih.gov/compound/87200980
- https://www.wikidata.org/wiki/Q66084529
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
7f298af9… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 2 | 1 |
881e1f3c… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
7746ae56… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
83f751d7… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
8516ac57… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 1 |
25ae5786… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 1 |
a48163cd… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 1 |
461f3bca… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 1 |
020380f5… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
020380f5… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
25ae5786… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
461f3bca… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
7746ae56… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
7f298af9… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
83f751d7… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
8516ac57… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
881e1f3c… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
a48163cd… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
c0e66327… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
cec0aa4d… |
cas_match_labels |
— |
{"156053-88-2":"exactMatch"} |
group_key=hfe-338mcf2||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'156053-88-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5cdfe1841b204ec7: {'156053-88-2': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-5cdfe1841b204ec7",
"prefLabel": [
{
"@value": "HFE-338mcf2",
"@language": "en",
"@lang": "en",
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"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H2F8O",
"C8H2F16O"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"prov:hadPrimarySource": [
"CID:2775955",
"CID:87200980"
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PWUUTIKGSUITSX-UHFFFAOYSA-N",
"ZOMISZRVOJQGOT-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C(C(C(F)(F)F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)C(F)(F)F",
"C(C(F)(F)F)OC(C(F)(F)F)(F)F"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2",
"InChI=1S/C8H2F16O/c9-3(10,7(19,20)21)1(5(13,14)15)25-2(6(16,17)18)4(11,12)8(22,23)24/h1-2H"
],
"rdfs:label": "InChI",
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"prov:wasDerivedFrom": "pubchem.props.InChI"
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1,1,1,2,2,4,4,4-octafluoro-3-(1,1,1,3,3,4,4,4-octafluorobutan-2-yloxy)butane",
"1,1,1,2,2,4,4,4-octafluoro-3-[2,2,3,3,3-pentafluoro-1-(trifluoromethyl)propoxy]butane",
"1,1,1,2,2,4,4,4-octakis(fluoranyl)-3-[1,1,1,3,3,4,4,4-octakis(fluoranyl)butan-2-yloxy]butane",
"1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane",
"1,1,1,2,2-pentakis(fluoranyl)-2-[2,2,2-tris(fluoranyl)ethoxy]ethane"
],
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],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
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],
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},
{
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{
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{
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],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "020380f5-d339-4058-b950-14578774b0a3",
"seed_source": "EF 3.1"
},
"classifications": {
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"@value": [
"156053-88-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=156053-88-2"
],
"skos:exactMatch": [
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},
"origin_qualifier": null,
"parent_flow_object_id": null
}